FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2076388971> ?p ?o ?g. }

• W2076388971 abstract "We calculate the ground state and excited state second-order dispersion interactions between parallel π-conjugated polymers. The unperturbed eigenstates and energies are calculated from the Pariser-Parr-Pople model using CI-singles theory. Based on large-scale calculations using the molecular structure of trans-polyacetylene as a model system and by exploiting dimensional analysis, we find that: (1) For inter-chain separations, R, greater than a few lattice spacings, the ground-state dispersion interaction, ΔE(GS), satisfies, ΔE(GS)∼L(2)/R(6) for L ≪ R and ΔE(GS)∼L/R(5) for R ≪ L, where L is the chain length. The former is the London fluctuating dipole-dipole interaction while the latter is a fluctuating line dipole-line dipole interaction. (2) The excited state screening interaction exhibits a crossover from fluctuating monopole-line dipole interactions to either fluctuating dipole-dipole or fluctuating line dipole-line dipole interactions when R exceeds a threshold R(c), where R(c) is related to the root-mean-square separation of the electron-hole excitation. Specifically, the excited state screening interaction, ΔE(n), satisfies, ΔE(n) ∼ L∕R(6) for R(c) < L ≪ R and ΔE(n) ∼ L(0)∕R(5) for R(c) < R ≪ L. For R < R(c) < L, ΔE(n) ∼ R(-ν), where ν ≃ 3. We also investigate the relative screening of the primary excited states in conjugated polymers, namely the n = 1, 2, and 3 excitons. We find that a larger value of n corresponds to a larger value of ΔE(n). For example, for poly(para-phenylene), ΔE(n = 1) ≃ 0.1 eV, ΔE(n = 2) ≃ 0.6 eV, and ΔE(n = 3) ≃ 1.2 eV (where n = 1 is the 1(1)B(1) state, n = 2 is the m(1)A state, and n = 3 is the n(1)B(1) state). Finally, we find that the strong dependence of ΔE(n) on inter-chain separation implies a strong dependency of ΔE(n) on density fluctuations. In particular, a 10% density fluctuation implies a fluctuation of 13 meV, 66 meV, and 120 meV for the 1(1)B(1), m(1)A state, and n(1)B(1) states of poly(para-phenylene), respectively. Our results for the ground-state dispersion are applicable to all types of conjugated polymers. However, our excited state results are only applicable to conjugated polymers, such as the phenyl-based class of light emitting polymers, in which the primary excitations are particle-hole (or ionic) states." @default.
• W2076388971 created "2016-06-24" @default.
• W2076388971 creator A5002897546 @default.
• W2076388971 creator A5081686409 @default.
• W2076388971 creator A5084936713 @default.
• W2076388971 date "2011-06-15" @default.
• W2076388971 modified "2023-09-24" @default.
• W2076388971 title "Second-order dispersion interactions in π-conjugated polymers" @default.
• W2076388971 cites W1967361216 @default.
• W2076388971 cites W1980513870 @default.
• W2076388971 cites W1984382591 @default.
• W2076388971 cites W2004090876 @default.
• W2076388971 cites W2010648924 @default.
• W2076388971 cites W2020039974 @default.
• W2076388971 cites W2046755480 @default.
• W2076388971 cites W2047675300 @default.
• W2076388971 cites W2050406225 @default.
• W2076388971 cites W2056576103 @default.
• W2076388971 cites W2056581678 @default.
• W2076388971 cites W2058669221 @default.
• W2076388971 cites W2059958278 @default.
• W2076388971 cites W2061345386 @default.
• W2076388971 cites W2067776356 @default.
• W2076388971 cites W2069967585 @default.
• W2076388971 cites W2072142756 @default.
• W2076388971 cites W2081811030 @default.
• W2076388971 cites W2085989477 @default.
• W2076388971 cites W2101032950 @default.
• W2076388971 cites W2110007641 @default.
• W2076388971 cites W2127849962 @default.
• W2076388971 cites W2331382275 @default.
• W2076388971 cites W2506827736 @default.
• W2076388971 cites W2044790649 @default.
• W2076388971 doi "https://doi.org/10.1063/1.3600342" @default.
• W2076388971 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21702545" @default.
• W2076388971 hasPublicationYear "2011" @default.
• W2076388971 type Work @default.
• W2076388971 sameAs 2076388971 @default.
• W2076388971 citedByCount "12" @default.
• W2076388971 countsByYear W20763889712012 @default.
• W2076388971 countsByYear W20763889712014 @default.
• W2076388971 countsByYear W20763889712015 @default.
• W2076388971 countsByYear W20763889712017 @default.
• W2076388971 countsByYear W20763889712018 @default.
• W2076388971 countsByYear W20763889712020 @default.
• W2076388971 countsByYear W20763889712021 @default.
• W2076388971 countsByYear W20763889712022 @default.
• W2076388971 crossrefType "journal-article" @default.
• W2076388971 hasAuthorship W2076388971A5002897546 @default.
• W2076388971 hasAuthorship W2076388971A5081686409 @default.
• W2076388971 hasAuthorship W2076388971A5084936713 @default.
• W2076388971 hasBestOaLocation W20763889711 @default.
• W2076388971 hasConcept C10138342 @default.
• W2076388971 hasConcept C121332964 @default.
• W2076388971 hasConcept C162324750 @default.
• W2076388971 hasConcept C173523689 @default.
• W2076388971 hasConcept C17729963 @default.
• W2076388971 hasConcept C181500209 @default.
• W2076388971 hasConcept C182306322 @default.
• W2076388971 hasConcept C184779094 @default.
• W2076388971 hasConcept C185592680 @default.
• W2076388971 hasConcept C26873012 @default.
• W2076388971 hasConcept C2775988048 @default.
• W2076388971 hasConcept C2777529809 @default.
• W2076388971 hasConcept C41999313 @default.
• W2076388971 hasConcept C46141821 @default.
• W2076388971 hasConcept C521977710 @default.
• W2076388971 hasConcept C62520636 @default.
• W2076388971 hasConcept C69523127 @default.
• W2076388971 hasConceptScore W2076388971C10138342 @default.
• W2076388971 hasConceptScore W2076388971C121332964 @default.
• W2076388971 hasConceptScore W2076388971C162324750 @default.
• W2076388971 hasConceptScore W2076388971C173523689 @default.
• W2076388971 hasConceptScore W2076388971C17729963 @default.
• W2076388971 hasConceptScore W2076388971C181500209 @default.
• W2076388971 hasConceptScore W2076388971C182306322 @default.
• W2076388971 hasConceptScore W2076388971C184779094 @default.
• W2076388971 hasConceptScore W2076388971C185592680 @default.
• W2076388971 hasConceptScore W2076388971C26873012 @default.
• W2076388971 hasConceptScore W2076388971C2775988048 @default.
• W2076388971 hasConceptScore W2076388971C2777529809 @default.
• W2076388971 hasConceptScore W2076388971C41999313 @default.
• W2076388971 hasConceptScore W2076388971C46141821 @default.
• W2076388971 hasConceptScore W2076388971C521977710 @default.
• W2076388971 hasConceptScore W2076388971C62520636 @default.
• W2076388971 hasConceptScore W2076388971C69523127 @default.
• W2076388971 hasFunder F4320306076 @default.
• W2076388971 hasIssue "23" @default.
• W2076388971 hasLocation W20763889711 @default.
• W2076388971 hasLocation W20763889712 @default.
• W2076388971 hasOpenAccess W2076388971 @default.
• W2076388971 hasPrimaryLocation W20763889711 @default.
• W2076388971 hasRelatedWork W1992067049 @default.
• W2076388971 hasRelatedWork W1995291171 @default.
• W2076388971 hasRelatedWork W2007427530 @default.
• W2076388971 hasRelatedWork W2041523622 @default.
• W2076388971 hasRelatedWork W2079054621 @default.
• W2076388971 hasRelatedWork W2079448079 @default.
• W2076388971 hasRelatedWork W2088289103 @default.
• W2076388971 hasRelatedWork W2251272965 @default.

• next